Crystallography Open Database

Result: there are 1914 entries in the selection

Switch to the old layout of the page

Download all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)

Searching journal of publication like 'Chemical Science' volume of publication is 16

Blue left arrow Blue left arrow First | Blue left arrow Previous 50 | of 39 | Next 50 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

COD ID Blue up arrow Links Formula Up arrow Space group Up arrow Cell parameters Cell volume Up arrow Bibliography
1573566 CIFC60 H81 B3 N6 OC 1 2/c 122.2498; 13.5031; 37.4373
90; 99.081; 90		11106.7Tang, Jianqin; Hu, Chenyang; Crumpton, Agamemnon E.; Griffin, Liam P.; Goicoechea, Jose M.; Aldridge, Simon
Metathesis chemistry of inorganic cumulenes driven by B-O bond formation.
Chemical science, 2025, 16, 2231-2237
1573567 CIFC27 H36 B N3 SI 1 2/a 116.90996; 9.55705; 33.35081
90; 94.9584; 90		5369.63Tang, Jianqin; Hu, Chenyang; Crumpton, Agamemnon E.; Griffin, Liam P.; Goicoechea, Jose M.; Aldridge, Simon
Metathesis chemistry of inorganic cumulenes driven by B-O bond formation.
Chemical science, 2025, 16, 2231-2237
1573570 CIFC31 H29 F2 O4 PP -19.6234; 10.4927; 14.0802
99.31; 98.054; 100.619		1357.67Huang, Mao-Gui; Fu, Yue-Liu-Ting; Li, Jia-Wei; Liu, Yue-Jin
Ruthenium-catalyzed three-component tandem remote C-H functionalization of naphthalenes: modular and concise synthesis of multifunctional naphthalenes.
Chemical science, 2025, 16, 1957-1965
1573571 CIFC42 H40 Br4 N12 Ni2 O6P 1 21/c 114.4927; 9.522; 24.7089
90; 137.895; 90		2286.3Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert
Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.
Chemical science, 2025, 16, 2751-2762
1573572 CIFC40 H38 Br4 Cl4 N12 Ni2 O4P 1 21/c 113.4368; 9.1144; 20.483
90; 108.664; 90		2376.6Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert
Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.
Chemical science, 2025, 16, 2751-2762
1573573 CIFC20.57 H18.49 N6.86 O2.39I 1 2/a 113.0278; 14.7154; 34.4476
90; 99.152; 90		6519.86Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert
Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.
Chemical science, 2025, 16, 2751-2762
1573574 CIFC13.82 H12.36 Br0.73 N5.09 Ni0.36 O1.45P 1 21/c 117.1742; 13.6415; 17.8507
90; 103.715; 90		4062.85Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert
Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.
Chemical science, 2025, 16, 2751-2762
1573575 CIFC17 H14 N6 O2P -16.6161; 11.0537; 11.1219
84.188; 74.575; 88.159		780.03Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert
Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.
Chemical science, 2025, 16, 2751-2762
1573576 CIFC11.5 H12.5 N2.5 O2P 1 21/c 19.8012; 8.1826; 27.1202
90; 94.448; 90		2168.47Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert
Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.
Chemical science, 2025, 16, 2751-2762
1573577 CIFC39 H52 N5 Ni O4.5C 1 2/c 133.3183; 9.9346; 21.7721
90; 91.007; 90		7205.54Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert
Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.
Chemical science, 2025, 16, 2751-2762
1573578 CIFC37 H32 Br N5 Ni O3 PP 1 21/n 119.3695; 17.6564; 19.5992
90; 93.297; 90		6691.75Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert
Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.
Chemical science, 2025, 16, 2751-2762
1573584 CIFC24 O13 Zn4F m -3 m25.415; 25.415; 25.415
90; 90; 90		16416.1Kim, Hyunyong; Cohen, Seth M.
Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.
Chemical science, 2025, 16, 2344-2350
1573585 CIFC24 O13 Zn4P m -3 m12.8235; 12.8235; 12.8235
90; 90; 90		2108.7Kim, Hyunyong; Cohen, Seth M.
Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.
Chemical science, 2025, 16, 2344-2350
1573586 CIFC96 O64 Zn16F m -3 m25.6171; 25.6171; 25.6171
90; 90; 90		16810.9Kim, Hyunyong; Cohen, Seth M.
Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.
Chemical science, 2025, 16, 2344-2350
1573587 CIFC96 O64 Zn16F m -3 m25.6455; 25.6455; 25.6455
90; 90; 90		16866.8Kim, Hyunyong; Cohen, Seth M.
Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.
Chemical science, 2025, 16, 2344-2350
1573588 CIFC96 O64 Zn16F m -3 m25.6396; 25.6396; 25.6396
90; 90; 90		16855.2Kim, Hyunyong; Cohen, Seth M.
Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.
Chemical science, 2025, 16, 2344-2350
1573589 CIFC96 O64 Zn16F m -3 m25.6309; 25.6309; 25.6309
90; 90; 90		16838Kim, Hyunyong; Cohen, Seth M.
Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.
Chemical science, 2025, 16, 2344-2350
1573590 CIFC14 N O5 ZnC 1 2/c 113.6279; 16.9199; 19.7799
90; 91.635; 90		4559Kim, Hyunyong; Cohen, Seth M.
Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.
Chemical science, 2025, 16, 2344-2350
1573591 CIFC96 O64 Zn16F m -3 m25.6731; 25.6731; 25.6731
90; 90; 90		16921.3Kim, Hyunyong; Cohen, Seth M.
Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.
Chemical science, 2025, 16, 2344-2350
1573592 CIFC96 O64 Zn16F m -3 m25.6846; 25.6846; 25.6846
90; 90; 90		16944.1Kim, Hyunyong; Cohen, Seth M.
Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.
Chemical science, 2025, 16, 2344-2350
1573593 CIFC96 O64 Zn16F m -3 m25.6483; 25.6483; 25.6483
90; 90; 90		16872.4Kim, Hyunyong; Cohen, Seth M.
Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.
Chemical science, 2025, 16, 2344-2350
1573594 CIFC29 H17 N3 O3P 1 21/c 17.2038; 11.3027; 26.8583
90; 92.223; 90		2185.2Sneddon, Dorian S.; Kevorkian, Paul V.; Hoye, Thomas R.
Rapid (≤25 °C) cycloisomerization of anhydride-tethered triynes to benzynes - origin of a remarkable anhydride linker-induced rate enhancement.
Chemical science, 2025, 16, 2898-2906
1573595 CIFC47 H41 N5 O5P 1 21/n 113.0754; 19.067; 15.68
90; 104.258; 90		3788.7Bae, Sungryul; Jeong, Younjae; Lee, Dongwhan
Mutually antagonistic molecular clips: symmetry-breaking non-covalent bonds at the chiral-nonchiral interface.
Chemical science, 2025, 16, 3459-3469
1573596 CIFC56 H42 N6 O5P -18.418; 12.809; 40.083
91.42; 92.29; 106.79		4131.5Bae, Sungryul; Jeong, Younjae; Lee, Dongwhan
Mutually antagonistic molecular clips: symmetry-breaking non-covalent bonds at the chiral-nonchiral interface.
Chemical science, 2025, 16, 3459-3469
1573597 CIFC44 H36 N4 O3P b c a15.283; 14.723; 30.471
90; 90; 90		6856Bae, Sungryul; Jeong, Younjae; Lee, Dongwhan
Mutually antagonistic molecular clips: symmetry-breaking non-covalent bonds at the chiral-nonchiral interface.
Chemical science, 2025, 16, 3459-3469
1573598 CIFC84 H69 N9 O8P 21 21 2114.434; 15.041; 30.493
90; 90; 90		6620Bae, Sungryul; Jeong, Younjae; Lee, Dongwhan
Mutually antagonistic molecular clips: symmetry-breaking non-covalent bonds at the chiral-nonchiral interface.
Chemical science, 2025, 16, 3459-3469
1573599 CIFC13 H16 I N O2P -15.4287; 8.9764; 13.4695
96.706; 95.087; 90.122		649.26Shiels, Oisin J.; Brydon, Samuel C.; Poad, Berwyck L. J.; Marshall, David L.; Houston, Sevan D.; Xing, Hui; Bernhardt, Paul V.; Savage, G. Paul; Williams, Craig M.; Harman, David G.; Kirk, Benjamin B.; da Silva, Gabriel; Blanksby, Stephen J.; Trevitt, Adam J.
Electrostatically tuning radical addition and atom abstraction reactions with distonic radical ions.
Chemical science, 2025, 16, 2861-2878
1573617 CIFC29 H22 OC 1 2/c 126.9512; 9.4305; 17.329
90; 111.921; 90		4086Wang, Shiyin; Liu, Haichao; Zhao, Shuaiqiang; Wu, Qiaolin; Yang, Zhiqiang; Yang, Daojie; Lv, Yingbo; Su, Qing; Zhang, Shi-Tong; Yang, Bing
A comparative investigation on excimer fluorescence toward its bright future.
Chemical science, 2025, 16, 3275-3284
1573618 CIFC43 H30 OP -19.1255; 17.9972; 18.3091
90.153; 90.817; 94.909		2995.6Wang, Shiyin; Liu, Haichao; Zhao, Shuaiqiang; Wu, Qiaolin; Yang, Zhiqiang; Yang, Daojie; Lv, Yingbo; Su, Qing; Zhang, Shi-Tong; Yang, Bing
A comparative investigation on excimer fluorescence toward its bright future.
Chemical science, 2025, 16, 3275-3284
1573620 CIFC54 H67 Cu K N6 O9P -19.0901; 13.3962; 22.3177
77.196; 86.431; 82.887		2628.01Das, Soumadip; Roy, Aritra; Chakrabarti, Navonil; Mukhopadhyay, Narottam; Sarkar, Aniruddha; Sen Gupta, Sayam
Self-sensitized Cu(ii)-complex catalyzed solar driven CO<sub>2</sub> reduction.
Chemical science, 2025, 16, 3114-3123
1573621 CIFC44 H48 Cl Cu N7 O3P -19.6787; 10.7885; 20.4415
96.743; 90.805; 99.865		2087.09Das, Soumadip; Roy, Aritra; Chakrabarti, Navonil; Mukhopadhyay, Narottam; Sarkar, Aniruddha; Sen Gupta, Sayam
Self-sensitized Cu(ii)-complex catalyzed solar driven CO<sub>2</sub> reduction.
Chemical science, 2025, 16, 3114-3123
1573622 CIFC98 H118 F6 N6 O2 S4C 1 2/c 125.2111; 22.7564; 33.5239
90; 108.292; 90		18261.3Wang, Yan-Bo; Tsai, Chia-Lin; Xue, Yung-Jing; Jiang, Bing-Huang; Lu, Han-Cheng; Hong, Jun-Cheng; Huang, Yu-Chi; Huang, Kuo-Hsiu; Chien, Su-Ying; Chen, Chih-Ping; Cheng, Yen-Ju
Fluorinated and methylated <i>ortho</i>-benzodipyrrole-based acceptors suppressing charge recombination and minimizing energy loss in organic photovoltaics.
Chemical science, 2025, 16, 3259-3274
1573623 CIFC100 H124 F4 N6 O2 S4P -121.223; 21.3687; 32.1128
91.951; 91.3666; 103.586		14140.1Wang, Yan-Bo; Tsai, Chia-Lin; Xue, Yung-Jing; Jiang, Bing-Huang; Lu, Han-Cheng; Hong, Jun-Cheng; Huang, Yu-Chi; Huang, Kuo-Hsiu; Chien, Su-Ying; Chen, Chih-Ping; Cheng, Yen-Ju
Fluorinated and methylated <i>ortho</i>-benzodipyrrole-based acceptors suppressing charge recombination and minimizing energy loss in organic photovoltaics.
Chemical science, 2025, 16, 3259-3274
1573677 CIFC11 H15 B F2 I N O6C 1 2/c 151.208; 7.1184; 31.56
90; 126.597; 90		9236.1Wu, Hengbo; Luo, Ruitong; Peng, Jingjing; Han, Zijian; Zhang, Renjie; Xu, Zhijian; Zhu, Weiliang; Liu, Hong; Li, Chunpu
B(MIDA)-directed site-selective intermolecular halofluoroalkylation of alkenes: synthesis of diversely functionalized building blocks.
Chemical science, 2025, 16, 2710-2717
1573678 CIFCu10 S13 Te4I -4 3 m10.2609; 10.2609; 10.2609
90; 90; 90		1080.33Zhang, Bo; Zhou, Sheng-Hua; Li, Bing-Xuan; Wu, Xin-Tao; Lin, Hua; Zhu, Qi-Long
Exploring new horizons in mid-to-far infrared nonlinear optical crystals: the significant potential of trigonal pyramidal [TeS<sub>3</sub>]<sup>2-</sup> functional units.
Chemical science, 2025, 16, 3218-3227
1573686 CIFC126 H160 K O6C m c 2126.623; 12.2818; 36.081
90; 90; 90		11797.7Zhu, Yikun; Borstelmann, Jan; Neiss, Christian; Wei, Zheng; Görling, Andreas; Kivala, Milan; Petrukhina, Marina A.
Stepwise reduction of an asymmetric π-expanded pyracylene towards the crystalline radical trianion.
Chemical science, 2025, 16, 3211-3217
1573687 CIFC186 H270 N6 O25.5 Rb3P -114.192; 23.883; 28.136
88.137; 80.21; 77.124		9161Zhu, Yikun; Borstelmann, Jan; Neiss, Christian; Wei, Zheng; Görling, Andreas; Kivala, Milan; Petrukhina, Marina A.
Stepwise reduction of an asymmetric π-expanded pyracylene towards the crystalline radical trianion.
Chemical science, 2025, 16, 3211-3217
1573688 CIFC136 H170 O14.5 Rb2I 41/a :227.4995; 27.4995; 70.8136
90; 90; 90		53550.8Zhu, Yikun; Borstelmann, Jan; Neiss, Christian; Wei, Zheng; Görling, Andreas; Kivala, Milan; Petrukhina, Marina A.
Stepwise reduction of an asymmetric π-expanded pyracylene towards the crystalline radical trianion.
Chemical science, 2025, 16, 3211-3217
1573689 CIFC30 H29 B N2 O3P 1 21/n 111.04999; 23.491; 22.4123
90; 100.772; 90		5715.2Qin, Hao-Ni; Jiang, Hao-Wen; Zhao, Yi; Qurban, Saira; Wang, Ke-Chun; Xu, Peng-Fei
Photocatalytic [3 + 2]-annulation <i>via</i> sodium tetraarylborate: a fundamental approach for synthesizing 1,4,2-diazaborole analogs.
Chemical science, 2025, 16, 2837-2842
1573690 CIFC21 H34 I N O5 SiP 21 21 218.9672; 14.2728; 19.4271
90; 90; 90		2486.42Seo, Seung Mo; Kim, Dongwook; Kim, Taewan; Han, Sunkyu
Total synthesis of (-)-flueggenine A and (-)-15'-<i>epi</i>-flueggenine D.
Chemical science, 2025, 16, 1216-1221
1573691 CIFC24 H26 N2 O4P 1 21 111.95; 6.4623; 13.674
90; 103.465; 90		1026.9Seo, Seung Mo; Kim, Dongwook; Kim, Taewan; Han, Sunkyu
Total synthesis of (-)-flueggenine A and (-)-15'-<i>epi</i>-flueggenine D.
Chemical science, 2025, 16, 1216-1221
1573692 CIFC24 H45 N O5 Si2P 1 21 16.8112; 9.0531; 23.2935
90; 95.8682; 90		1428.81Seo, Seung Mo; Kim, Dongwook; Kim, Taewan; Han, Sunkyu
Total synthesis of (-)-flueggenine A and (-)-15'-<i>epi</i>-flueggenine D.
Chemical science, 2025, 16, 1216-1221
1573693 CIFC23 H35 I N O5 SiP 21 21 28.5047; 46.069; 6.8117
90; 90; 90		2668.8Seo, Seung Mo; Kim, Dongwook; Kim, Taewan; Han, Sunkyu
Total synthesis of (-)-flueggenine A and (-)-15'-<i>epi</i>-flueggenine D.
Chemical science, 2025, 16, 1216-1221
1573694 CIFC36 H50 N2 O12P 1 21 117.7153; 5.8663; 18.0482
90; 99.613; 90		1849.3Seo, Seung Mo; Kim, Dongwook; Kim, Taewan; Han, Sunkyu
Total synthesis of (-)-flueggenine A and (-)-15'-<i>epi</i>-flueggenine D.
Chemical science, 2025, 16, 1216-1221
1573695 CIFC7 H9 Br2 N7 O ZnI -4 3 m16.77164; 16.77164; 16.77164
90; 90; 90		4717.66Liang, Zi-Jun; Dong, Fang-Di; Ye, Le; Zheng, Kai; Hu, Ding-Yi; Feng, Xi; Su, Wen-Yu; Wang, Zhi-Shuo; Zhou, Mu-Yang; Fang, Zi-Luo; Zhou, Dong-Dong; Zhang, Jie-Peng; Chen, Xiao-Ming
Introducing halogen-bonded gates into zeolitic frameworks for efficient benzene/cyclohexene/cyclohexane separation.
Chemical science, 2025, 16, 3307-3312
1573696 CIFC10.96 H8.96 Br2 N6 ZnI -4 3 m16.7719; 16.7719; 16.7719
90; 90; 90		4717.88Liang, Zi-Jun; Dong, Fang-Di; Ye, Le; Zheng, Kai; Hu, Ding-Yi; Feng, Xi; Su, Wen-Yu; Wang, Zhi-Shuo; Zhou, Mu-Yang; Fang, Zi-Luo; Zhou, Dong-Dong; Zhang, Jie-Peng; Chen, Xiao-Ming
Introducing halogen-bonded gates into zeolitic frameworks for efficient benzene/cyclohexene/cyclohexane separation.
Chemical science, 2025, 16, 3307-3312
1573697 CIFO7 S Te TiP 1 21 14.9516; 7.6029; 7.1865
90; 105.062; 90		261.25Li, Zhenhua; Liang, Zhengli; Wan, Jiahao; Liu, Lehui; Wu, Chunxiang; Wang, Ping; Jiang, Xingxing; Lin, Zheshuai; Liu, Hongming
Different p-block elements induce C<sub>3</sub>[111] octahedral distortion in titanium to generate an intense nonlinear effect.
Chemical science, 2025, 16, 3329-3335
1573703 CIFC72 H54 F3 N5 O4 S2P -111.823; 13.6657; 23.0648
100.582; 94.663; 108.17		3442.01Liu, Junxiang; Wang, Kangmin; Wan, Liqiu; Yang, Xianhui; Li, Bijin
Ruthenium-catalyzed C-H bond activation and annulation of phenothiazine-3-carbaldehydes: facile access to dual-emission materials.
Chemical science, 2025, 16, 3107-3113
1573704 CIFC21 H20 F3 N ZrP 1 21/n 18.1766; 15.5546; 14.6671
90; 99.429; 90		1840.21Bonfante, Sara; Tanner, Theo F. N.; Lorber, Christian; Lynam, Jason M.; Simonneau, Antoine; Slattery, John M.
Zirconium-mediated carbon-fluorine bond functionalisation through cyclohexyne "umpolung".
Chemical science, 2025, 16, 3552-3559
1573706 CIFC15 H15 N3 O SP 1 21/n 19.889; 23.89; 12.335
90; 98.52; 90		2882Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian
Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity.
Chemical science, 2025, 16, 3130-3140

Blue left arrow Blue left arrow First | Blue left arrow Previous 50 | of 39 | Next 50 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

Back to the search form
Your own data is not in the COD? Deposit it, thanks!
Top of the page
All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.